≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
β-Aspartylaspartic acid is a natural compound found in Asparagus ( Asparagus officinalis ) Shoots.
Form:Solid
| Canonical Smiles | C(C(C(=O)O)N)C(=O)NC(CC(=O)O)C(=O)O |
|---|---|
| IUPAC Name | (2S)-2-[[(3S)-3-amino-3-carboxypropanoyl]amino]butanedioic acid |
| InChIKey | KXAWLANLJYMEGB-IMJSIDKUSA-N |
| INCHI | 1S/C8H12N2O7/c9-3(7(14)15)1-5(11)10-4(8(16)17)2-6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t3-,4-/m0/s1 |
| Isomeric SMILES | C([C@@H](C(=O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O |
| Alternate CAS | 60079-22-3 |
| PubChem CID | 453623 |
| MeSH Entry Terms | Asp-Asp;aspartyl-aspartic acid;beta-L-aspartyl-L-aspartic acid |
| Molecular Weight | 248.19 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Peptidomimetics |
| Subclass | Hybrid peptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hybrid peptides |
| Alternative Parents | Aspartic acid and derivatives Asparagine and derivatives N-acyl-L-alpha-amino acids Acyl L-homoserines L-alpha-amino acids Tricarboxylic acids and derivatives N-acyl amines Secondary carboxylic acid amides Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Hybrid peptide - Aspartic acid or derivatives - Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Acyl-homoserine - Acyl-l-homoserine - N-acyl-l-alpha-amino acid - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Tricarboxylic acid or derivatives - Fatty acyl - N-acyl-amine - Fatty amide - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. |
| External Descriptors | Not available |
| Solubility | DMSO : 100 mg/mL (402.92 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 248.190 g/mol |
| XLogP3 | -5.000 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 248.064 Da |
| Monoisotopic Mass | 248.064 Da |
| Topological Polar Surface Area | 167.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 341.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
